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146118-22-1 | Carbamic acid, [(1S)-2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-phenylethyl]-, phenylmethyl ester
CAS No: 146118-22-1 Catalog No: AG001DP2 MDL No:MFCD00153339
Product Description
Catalog Number:
AG001DP2
Chemical Name:
Carbamic acid, [(1S)-2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-phenylethyl]-, phenylmethyl ester
CAS Number:
146118-22-1
Molecular Formula:
C20H18N2O6
Molecular Weight:
382.3667
MDL Number:
MFCD00153339
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate
InChI:
InChI=1S/C20H18N2O6/c23-16-11-12-17(24)22(16)28-19(25)18(15-9-5-2-6-10-15)21-20(26)27-13-14-7-3-1-4-8-14/h1-10,18H,11-13H2,(H,21,26)/t18-/m0/s1
InChI Key:
MZJSWDYNUOPUKB-SFHVURJKSA-N
SMILES:
O=C(N[C@@H](c1ccccc1)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
382.116g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.372g/mol
Monoisotopic Mass:
382.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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